6QQP
Aplysia californica AChBP in complex with 2-Fluoro-(carbamoylpyridinyl)deschloroepibatidine analogue (2)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-07-03 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.968580 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 209.530, 136.948, 131.552 |
| Unit cell angles | 90.00, 102.74, 90.00 |
Refinement procedure
| Resolution | 46.820 - 2.400 |
| R-factor | 0.18893 |
| Rwork | 0.188 |
| R-free | 0.21003 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5o87 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.490 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.820 | 2.440 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.089 | 0.510 |
| Number of reflections | 139199 | 6884 |
| <I/σ(I)> | 8.2 | 2.5 |
| Completeness [%] | 98.7 | 98.7 |
| Redundancy | 2.9 | 2.8 |
| CC(1/2) | 0.950 | 0.650 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.2 | 293 | Reservoir: 0.2 M NaCl, 0.1 M Phosphate/citrate pH 4.2 8% PEG 8000 Buffer: 50 mM Tris 250 mM NaCl pH 7.5 Protein concentration: 4 mg/ml Microseeded |
